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The Journal of Physical Chemistry. A
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September 20, 2018
Unraveling the Origin of Solvent Induced Enantioselectivity in the Henry Reaction with Cinchona Thiourea as Catalyst
Mojgan Heshmat
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
June 14, 2021
Alternative Pathway of CO<sub>2</sub> Hydrogenation by Lewis-Pair-Functionalized UiO-66 MOF Revealed by Metadynamics Simulations
Mojgan Heshmat
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 3, 2021
Lewis Acidity of Carbon in Activated Carbonyl Group vs. B(C<sub>6</sub> F<sub>5</sub> )<sub>3</sub> for Metal-Free Catalysis of Hydrogenation of Carbonyl Compounds
Mojgan Heshmat
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 6, 2017
Computational Elucidation of a Role That Brønsted Acidification of the Lewis Acid-Bound Water Might Play in the Hydrogenation of Carbonyl Compounds with H<sub>2</sub> in Lewis Basic Solvents
Mojgan Heshmat, Timofei Privalov
The Journal of Physical Chemistry. A
|
May 30, 2018
Structurally Flexible Oxocarbenium/Borohydride Ion Pair: Dynamics of Hydride Transfer on the Background of Conformational Roaming
Mojgan Heshmat, Timofei Privalov
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 6, 2017
Carbonyl Activation by Borane Lewis Acid Complexation: Transition States of H<sub>2</sub> Splitting at the Activated Carbonyl Carbon Atom in a Lewis Basic Solvent and the Proton-Transfer Dynamics of the Boroalkoxide Intermediate
Mojgan Heshmat, Timofei Privalov
The Journal of Physical Chemistry. A
|
March 29, 2018
Surprisingly Flexible Oxonium/Borohydride Ion Pair Configurations
Mojgan Heshmat, Timofei Privalov
The Journal of Physical Chemistry. B
|
September 1, 2018
Water and a Borohydride/Hydronium Intermediate in the Borane-Catalyzed Hydrogenation of Carbonyl Compounds with H<sub>2</sub> in Wet Ether: A Computational Study
Mojgan Heshmat, Timofei Privalov
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 6, 2017
Theory-Based Extension of the Catalyst Scope in the Base-Catalyzed Hydrogenation of Ketones: RCOOH-Catalyzed Hydrogenation of Carbonyl Compounds with H<sub>2</sub> Involving a Proton Shuttle
Mojgan Heshmat, Timofei Privalov
The Journal of Chemical Physics
|
September 10, 2017
Testing the nature of reaction coordinate describing interaction of H<sub>2</sub> with carbonyl carbon, activated by Lewis acid complexation, and the Lewis basic solvent: A Born-Oppenheimer molecular dynamics study with explicit solvent
Mojgan Heshmat, Timofei Privalov
Page
of 3
Search research articles
Search
Showing results (1-10 of 21) with videos related to
Sort By:
Page
of 3
The Journal of Physical Chemistry. A
|
September 20, 2018
Unraveling the Origin of Solvent Induced Enantioselectivity in the Henry Reaction with Cinchona Thiourea as Catalyst
Mojgan Heshmat
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
June 14, 2021
Alternative Pathway of CO<sub>2</sub> Hydrogenation by Lewis-Pair-Functionalized UiO-66 MOF Revealed by Metadynamics Simulations
Mojgan Heshmat
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 3, 2021
Lewis Acidity of Carbon in Activated Carbonyl Group vs. B(C<sub>6</sub> F<sub>5</sub> )<sub>3</sub> for Metal-Free Catalysis of Hydrogenation of Carbonyl Compounds
Mojgan Heshmat
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 6, 2017
Computational Elucidation of a Role That Brønsted Acidification of the Lewis Acid-Bound Water Might Play in the Hydrogenation of Carbonyl Compounds with H<sub>2</sub> in Lewis Basic Solvents
Mojgan Heshmat, Timofei Privalov
The Journal of Physical Chemistry. A
|
May 30, 2018
Structurally Flexible Oxocarbenium/Borohydride Ion Pair: Dynamics of Hydride Transfer on the Background of Conformational Roaming
Mojgan Heshmat, Timofei Privalov
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 6, 2017
Carbonyl Activation by Borane Lewis Acid Complexation: Transition States of H<sub>2</sub> Splitting at the Activated Carbonyl Carbon Atom in a Lewis Basic Solvent and the Proton-Transfer Dynamics of the Boroalkoxide Intermediate
Mojgan Heshmat, Timofei Privalov
The Journal of Physical Chemistry. A
|
March 29, 2018
Surprisingly Flexible Oxonium/Borohydride Ion Pair Configurations
Mojgan Heshmat, Timofei Privalov
The Journal of Physical Chemistry. B
|
September 1, 2018
Water and a Borohydride/Hydronium Intermediate in the Borane-Catalyzed Hydrogenation of Carbonyl Compounds with H<sub>2</sub> in Wet Ether: A Computational Study
Mojgan Heshmat, Timofei Privalov
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 6, 2017
Theory-Based Extension of the Catalyst Scope in the Base-Catalyzed Hydrogenation of Ketones: RCOOH-Catalyzed Hydrogenation of Carbonyl Compounds with H<sub>2</sub> Involving a Proton Shuttle
Mojgan Heshmat, Timofei Privalov
The Journal of Chemical Physics
|
September 10, 2017
Testing the nature of reaction coordinate describing interaction of H<sub>2</sub> with carbonyl carbon, activated by Lewis acid complexation, and the Lewis basic solvent: A Born-Oppenheimer molecular dynamics study with explicit solvent
Mojgan Heshmat, Timofei Privalov
Page
of 3